SCHEMBL6316697

SCHEMBL6316697

CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(NCC(Cc1ccccc1)Cc1ccc(Cl)cc1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.61
TP53 P04637 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
MAPK10 P53779 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN5 P54829 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6309884 0.88 GCGR (0.58) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL6308777 0.87 GCGR (0.54) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL6309449 0.83 GCGR (0.58) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL6308719 0.83 GCGR (0.58) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4038180 0.81 GCGR (0.60) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4042947 0.80 GCGR (0.58) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4039285 0.79 GCGR (0.73) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL6316704 0.79 GCGR (0.71) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL6309455 0.78 GCGR (0.68) GCGRTP53ALDH1A1NPC1RAB9A
SCHEMBL4039316 0.77 GCGR (0.59) GCGRALDH1A1NPC1RAB9AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. 2005-10-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050239865-A1 Substituted bicyclic thiophene derivatives, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885TP53 3716/4885ALDH1A1 4206/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.